Structure of PDB 4ghf Chain D Binding Site BS01

Receptor Information

>4ghf Chain D (length=359) Species: 47914 (Brevibacterium fuscum)

EIPKPVAPAPDILRCAYAELVVTDLAKSRNFYVDVLGLHVSYEDENQIYL
RSFEEFIHHNLVLTKGPVAALKAMAFRVRTPEDVDKAEAYYQELGCRTER
RKDGFVKGIGDALRVEDPLGFPYEFFFETTHVERLHMRYDLYSAGELVRL
DHFNQVTPDVPRGRKYLEDLGFRVTEDIQDDEGTTYAAWMHRKGTVHDTA
LTGGNGPRLHHVAFSTHEKHNIIQICDKMGALRISDRIERGPGRHGVSNA
FYLFILDPDNHRIEIYTQDYYTGDPDNPTITWNVHDNQRRDWWGNPVVPS
WYTEASKVLDLDGNVQEIIERTDDSELEVTIGADGFSFTRAGDEDGSYHG
QASKGFKLG

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 4ghf Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ghf Structural basis for the role of tyrosine 257 of homoprotocatechuate 2,3-dioxygenase in substrate and oxygen activation.
• Resolution: 1.67 Å
• Binding residue (original residue number in PDB): H155 H214 E267
• Binding residue (residue number reindexed from 1): H152 H211 E264
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H155 H200 H214 H248 F257 E267
• Catalytic site (residue number reindexed from 1): H152 H197 H211 H245 F254 E264
• Enzyme Commision number: 1.13.11.15: 3,4-dihydroxyphenylacetate 2,3-dioxygenase.

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

External links

• PDB: RCSB:4ghf, PDBe:4ghf, PDBj:4ghf
• PDBsum: 4ghf
• PubMed: 23066739
• UniProt: Q45135